N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C14H20N4S — CID 133430234

IUPACN'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(N(CCN(C)C)Cc2ccccc2)n1
InChIInChI=1S/C14H20N4S/c1-12-15-14(19-16-12)18(10-9-17(2)3)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKeyTYBMRXUGISFCTP-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.41
Rot. Bonds6

About N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 133430234) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID133430234
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(N(CCN(C)C)Cc2ccccc2)n1
InChIInChI=1S/C14H20N4S/c1-12-15-14(19-16-12)18(10-9-17(2)3)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKeyTYBMRXUGISFCTP-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 133430234) is N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is Cc1nsc(N(CCN(C)C)Cc2ccccc2)n1.
What is the InChIKey of N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is TYBMRXUGISFCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-12-15-14(19-16-12)18(10-9-17(2)3)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3.
What are the key properties of N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 133430234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).